1D9M
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 1d9m by Molmil](/molmil-images/mine/1d9m) | |
8EP6
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 8ep6 by Molmil](/molmil-images/mine/8ep6) | Crystal Structure of the Beta-lactamase Class D from Chitinophaga pinensis in complex with Avibactam | 分子名称: | (2S,5R)-1-formyl-5-[(sulfooxy)amino]piperidine-2-carboxamide, ACETIC ACID, Beta-lactamase Class D Cpin_0907 | 著者 | Maltseva, N, Kim, Y, Endres, M, Joachimiak, A, Center for Structural Genomics of Infectious Diseases (CSGID), Center for Structural Biology of Infectious Diseases (CSBID) | 登録日 | 2022-10-05 | 公開日 | 2022-10-19 | 最終更新日 | 2023-02-01 | 実験手法 | X-RAY DIFFRACTION (1.5 Å) | 主引用文献 | Crystal Structure of the Beta-lactamase Class D from Chitinophaga pinensis in the complex with Avibactam. To Be Published
|
|
8CZU
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 8czu by Molmil](/molmil-images/mine/8czu) | Structure of MERS 3CL protease in complex with the cyclopropane based inhibitor 16d | 分子名称: | 3C-like proteinase, [(1~{S},2~{S})-2-(cyclohexylmethyl)cyclopropyl]methyl ~{N}-[(2~{S})-1-[[(2~{S})-1-[bis(oxidanyl)-oxidanylidene-$l^{5}-sulfanyl]-1-oxidanyl-3-[(3~{R})-2-oxidanylidene-3,4-dihydropyrrol-3-yl]propan-2-yl]amino]-4-methyl-1-oxidanylidene-pentan-2-yl]carbamate | 著者 | Liu, L, Lovell, S, Battaile, K.P, Nguyen, H.N, Chamandi, S.D, Picard, H.R, Madden, T.K, Thruman, H.A, Kim, Y, Groutas, W.C, Chang, K.O. | 登録日 | 2022-05-25 | 公開日 | 2022-06-22 | 最終更新日 | 2023-10-25 | 実験手法 | X-RAY DIFFRACTION (2.7 Å) | 主引用文献 | Broad-Spectrum Cyclopropane-Based Inhibitors of Coronavirus 3C-like Proteases: Biochemical, Structural, and Virological Studies. Acs Pharmacol Transl Sci, 6, 2023
|
|
8CZV
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 8czv by Molmil](/molmil-images/mine/8czv) | Structure of MERS 3CL protease in complex with the cyclopropane based inhibitor 17d | 分子名称: | 3C-like proteinase, [(1~{S},2~{R})-2-[4,4-bis(fluoranyl)cyclohexyl]cyclopropyl]methyl ~{N}-[(2~{S})-1-[[(1~{R},2~{S})-1-[bis(oxidanyl)-oxidanylidene-$l^{5}-sulfanyl]-1-oxidanyl-3-[(3~{S})-2-oxidanylidenepyrrolidin-3-yl]propan-2-yl]amino]-4-methyl-1-oxidanylidene-pentan-2-yl]carbamate, [(1~{S},2~{R})-2-[4,4-bis(fluoranyl)cyclohexyl]cyclopropyl]methyl ~{N}-[(2~{S})-1-[[(1~{S},2~{S})-1-[bis(oxidanyl)-oxidanylidene-$l^{5}-sulfanyl]-1-oxidanyl-3-[(3~{S})-2-oxidanylidenepyrrolidin-3-yl]propan-2-yl]amino]-4-methyl-1-oxidanylidene-pentan-2-yl]carbamate | 著者 | Liu, L, Lovell, S, Battaile, K.P, Nguyen, H.N, Chamandi, S.D, Picard, H.R, Madden, T.K, Thruman, H.A, Kim, Y, Groutas, W.C, Chang, K.O. | 登録日 | 2022-05-25 | 公開日 | 2022-06-22 | 最終更新日 | 2023-10-25 | 実験手法 | X-RAY DIFFRACTION (1.95 Å) | 主引用文献 | Broad-Spectrum Cyclopropane-Based Inhibitors of Coronavirus 3C-like Proteases: Biochemical, Structural, and Virological Studies. Acs Pharmacol Transl Sci, 6, 2023
|
|
8CZT
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 8czt by Molmil](/molmil-images/mine/8czt) | Structure of MERS 3CL protease in complex with the cyclopropane based inhibitor 15d | 分子名称: | 3C-like proteinase, [(1~{S},2~{R})-2-cyclohexylcyclopropyl]methyl ~{N}-[(2~{S})-1-[[(1~{R},2~{S})-1-[bis(oxidanyl)-oxidanylidene-$l^{5}-sulfanyl]-1-oxidanyl-3-[(3~{S})-2-oxidanylidenepyrrolidin-3-yl]propan-2-yl]amino]-4-methyl-1-oxidanylidene-pentan-2-yl]carbamate | 著者 | Liu, L, Lovell, S, Battaile, K.P, Nguyen, H.N, Chamandi, S.D, Picard, H.R, Madden, T.K, Thruman, H.A, Kim, Y, Groutas, W.C, Chang, K.O. | 登録日 | 2022-05-25 | 公開日 | 2022-06-22 | 最終更新日 | 2023-10-25 | 実験手法 | X-RAY DIFFRACTION (2.1 Å) | 主引用文献 | Broad-Spectrum Cyclopropane-Based Inhibitors of Coronavirus 3C-like Proteases: Biochemical, Structural, and Virological Studies. Acs Pharmacol Transl Sci, 6, 2023
|
|
8CZX
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 8czx by Molmil](/molmil-images/mine/8czx) | Structure of SARS-CoV-2 3CL protease in complex with the cyclopropane based inhibitor 17d | 分子名称: | 3C-like proteinase, TETRAETHYLENE GLYCOL, [(1~{S},2~{R})-2-[4,4-bis(fluoranyl)cyclohexyl]cyclopropyl]methyl ~{N}-[(2~{S})-1-[[(1~{R},2~{S})-1-[bis(oxidanyl)-oxidanylidene-$l^{5}-sulfanyl]-1-oxidanyl-3-[(3~{S})-2-oxidanylidenepyrrolidin-3-yl]propan-2-yl]amino]-4-methyl-1-oxidanylidene-pentan-2-yl]carbamate, ... | 著者 | Machen, A.J, Lovell, S, Battaile, K.P, Nguyen, H.N, Chamandi, S.D, Picard, H.R, Madden, T.K, Thruman, H.A, Kim, Y, Groutas, W.C, Chang, K.O. | 登録日 | 2022-05-25 | 公開日 | 2022-06-22 | 最終更新日 | 2023-10-25 | 実験手法 | X-RAY DIFFRACTION (1.65 Å) | 主引用文献 | Broad-Spectrum Cyclopropane-Based Inhibitors of Coronavirus 3C-like Proteases: Biochemical, Structural, and Virological Studies. Acs Pharmacol Transl Sci, 6, 2023
|
|
8CZW
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 8czw by Molmil](/molmil-images/mine/8czw) | Structure of SARS-CoV-2 3CL protease in complex with the cyclopropane based inhibitor 15d | 分子名称: | 3C-like proteinase, TETRAETHYLENE GLYCOL, [(1~{S},2~{R})-2-cyclohexylcyclopropyl]methyl ~{N}-[(2~{S})-1-[[(1~{R},2~{S})-1-[bis(oxidanyl)-oxidanylidene-$l^{5}-sulfanyl]-1-oxidanyl-3-[(3~{S})-2-oxidanylidenepyrrolidin-3-yl]propan-2-yl]amino]-4-methyl-1-oxidanylidene-pentan-2-yl]carbamate, ... | 著者 | Machen, A.J, Lovell, S, Battaile, K.P, Nguyen, H.N, Chamandi, S.D, Picard, H.R, Madden, T.K, Thruman, H.A, Kim, Y, Groutas, W.C, Chang, K.O. | 登録日 | 2022-05-25 | 公開日 | 2022-06-22 | 最終更新日 | 2023-10-25 | 実験手法 | X-RAY DIFFRACTION (1.7 Å) | 主引用文献 | Broad-Spectrum Cyclopropane-Based Inhibitors of Coronavirus 3C-like Proteases: Biochemical, Structural, and Virological Studies. Acs Pharmacol Transl Sci, 6, 2023
|
|
8DGY
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 8dgy by Molmil](/molmil-images/mine/8dgy) | Structure of MERS 3CL protease in complex with the cyclopropane based inhibitor 16d (high resolution) | 分子名称: | 3C-like proteinase, [(1~{R},2~{R})-2-(cyclohexylmethyl)cyclopropyl]methyl ~{N}-[(2~{S})-1-[[(1~{R},2~{S})-1-[bis(oxidanyl)-oxidanylidene-$l^{5}-sulfanyl]-1-oxidanyl-3-[(3~{S})-2-oxidanylidenepyrrolidin-3-yl]propan-2-yl]amino]-4-methyl-1-oxidanylidene-pentan-2-yl]carbamate, [(1~{R},2~{R})-2-(cyclohexylmethyl)cyclopropyl]methyl ~{N}-[(2~{S})-1-[[(1~{S},2~{S})-1-[bis(oxidanyl)-oxidanylidene-$l^{5}-sulfanyl]-1-oxidanyl-3-[(3~{S})-2-oxidanylidenepyrrolidin-3-yl]propan-2-yl]amino]-4-methyl-1-oxidanylidene-pentan-2-yl]carbamate | 著者 | Lovell, S, Liu, L, Battaile, K.P, Nguyen, H.N, Chamandi, S.D, Picard, H.R, Madden, T.K, Thruman, H.A, Kim, Y, Groutas, W.C, Chang, K.O. | 登録日 | 2022-06-24 | 公開日 | 2022-07-06 | 最終更新日 | 2023-10-25 | 実験手法 | X-RAY DIFFRACTION (1.65 Å) | 主引用文献 | Broad-Spectrum Cyclopropane-Based Inhibitors of Coronavirus 3C-like Proteases: Biochemical, Structural, and Virological Studies. Acs Pharmacol Transl Sci, 6, 2023
|
|
8EBG
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 8ebg by Molmil](/molmil-images/mine/8ebg) | Crystal structure of the probable FhuD FeIII-dicitrate-binding domain protein FecB from Mycobacterium tuberculosis | 分子名称: | ACETIC ACID, FEIII-dicitrate-binding periplasmic lipoprotein FecB, FORMIC ACID, ... | 著者 | Cuff, M, Kim, Y, Endres, M, Gu, M, Joachimiak, A, Midwest Center for Structural Genomics (MCSG) | 登録日 | 2022-08-31 | 公開日 | 2022-09-14 | 実験手法 | X-RAY DIFFRACTION (1.43 Å) | 主引用文献 | Crystal structure of the probable FhuD FeIII-dicitrate-binding domain protein FecB from Mycobacterium tuberculosis To Be Published
|
|
2NCY
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 2ncy by Molmil](/molmil-images/mine/2ncy) | |
2NCX
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 2ncx by Molmil](/molmil-images/mine/2ncx) | |
2OJM
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 2ojm by Molmil](/molmil-images/mine/2ojm) | |
2OJN
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 2ojn by Molmil](/molmil-images/mine/2ojn) | |
2OJO
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 2ojo by Molmil](/molmil-images/mine/2ojo) | |
2Q6J
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 2q6j by Molmil](/molmil-images/mine/2q6j) | Crystal Structure of Estrogen Receptor alpha Complexed to a B-N Substituted Ligand | 分子名称: | 4-[(DIMESITYLBORYL)(2,2,2-TRIFLUOROETHYL)AMINO]PHENOL, Estrogen receptor, GRIP peptide | 著者 | Zhou, H, Nettles, K.W, Bruning, J.B, Kim, Y, Joachimiak, A, Sharma, S, Carlson, K.E, Stossi, F, Katzenellenbogen, B.S, Greene, G.L, Katzenellenbogen, J.A. | 登録日 | 2007-06-05 | 公開日 | 2007-06-26 | 最終更新日 | 2023-08-30 | 実験手法 | X-RAY DIFFRACTION (2.7 Å) | 主引用文献 | Elemental isomerism: a boron-nitrogen surrogate for a carbon-carbon double bond increases the chemical diversity of estrogen receptor ligands Chem.Biol., 14, 2007
|
|
4XBD
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 4xbd by Molmil](/molmil-images/mine/4xbd) | 1.45A resolution structure of Norovirus 3CL protease complex with a covalently bound dipeptidyl inhibitor (1R,2S)-2-({N-[(benzyloxy)carbonyl]-3-cyclohexyl-L-alanyl}amino)-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propane-1-sulfonic acid (Orthorhombic P Form) | 分子名称: | (1R,2S)-2-({N-[(benzyloxy)carbonyl]-3-cyclohexyl-L-alanyl}amino)-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propane-1-sulfonic acid, 3C-LIKE PROTEASE | 著者 | Lovell, S, Battaile, K.P, Mehzabeen, N, Kankanamalage, A.C.G, Kim, Y, Weerawarna, P.M, Uy, R.A.Z, Damalanka, V.C, Mandadapu, S.R, Alliston, K.R, Groutas, W.C, Chang, K.-O. | 登録日 | 2014-12-16 | 公開日 | 2015-03-25 | 最終更新日 | 2017-11-22 | 実験手法 | X-RAY DIFFRACTION (1.45 Å) | 主引用文献 | Structure-Guided Design and Optimization of Dipeptidyl Inhibitors of Norovirus 3CL Protease. Structure-Activity Relationships and Biochemical, X-ray Crystallographic, Cell-Based, and In Vivo Studies. J.Med.Chem., 58, 2015
|
|
4XBC
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 4xbc by Molmil](/molmil-images/mine/4xbc) | 1.60 A resolution structure of Norovirus 3CL protease complex with a covalently bound dipeptidyl inhibitor (1R,2S)-2-({N-[(benzyloxy)carbonyl]-3-cyclohexyl-L-alanyl}amino)-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propane-1-sulfonic acid (Hexagonal Form) | 分子名称: | (1R,2S)-2-({N-[(benzyloxy)carbonyl]-3-cyclohexyl-L-alanyl}amino)-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propane-1-sulfonic acid, 3C-LIKE PROTEASE, TETRAETHYLENE GLYCOL | 著者 | Lovell, S, Battaile, K.P, Mehzabeen, N, Kankanamalage, A.C.G, Kim, Y, Weerawarna, P.M, Uy, R.A.Z, Damalanka, V.C, Mandadapu, S.R, Alliston, K.R, Groutas, W.C, Chang, K.-O. | 登録日 | 2014-12-16 | 公開日 | 2015-03-25 | 最終更新日 | 2017-11-22 | 実験手法 | X-RAY DIFFRACTION (1.6 Å) | 主引用文献 | Structure-Guided Design and Optimization of Dipeptidyl Inhibitors of Norovirus 3CL Protease. Structure-Activity Relationships and Biochemical, X-ray Crystallographic, Cell-Based, and In Vivo Studies. J.Med.Chem., 58, 2015
|
|
4XBB
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 4xbb by Molmil](/molmil-images/mine/4xbb) | 1.85A resolution structure of Norovirus 3CL protease complex with a covalently bound dipeptidyl inhibitor diethyl [(1R,2S)-2-[(N-{[(3-chlorobenzyl)oxy]carbonyl}-3-cyclohexyl-L-alanyl)amino]-1-hydroxy-3-(2-oxo-2H-pyrrol-3-yl)propyl]phosphonate | 分子名称: | 3C-LIKE PROTEASE, SULFATE ION, diethyl [(1R,2S)-2-[(N-{[(3-chlorobenzyl)oxy]carbonyl}-3-cyclohexyl-L-alanyl)amino]-1-hydroxy-3-(2-oxo-2H-pyrrol-3-yl)propyl]phosphonate | 著者 | Lovell, S, Battaile, K.P, Mehzabeen, N, Kankanamalage, A.C.G, Kim, Y, Weerawarna, P.M, Uy, R.A.Z, Damalanka, V.C, Mandadapu, S.R, Alliston, K.R, Groutas, W.C, Chang, K.-O. | 登録日 | 2014-12-16 | 公開日 | 2015-03-25 | 最終更新日 | 2023-09-27 | 実験手法 | X-RAY DIFFRACTION (1.85 Å) | 主引用文献 | Structure-Guided Design and Optimization of Dipeptidyl Inhibitors of Norovirus 3CL Protease. Structure-Activity Relationships and Biochemical, X-ray Crystallographic, Cell-Based, and In Vivo Studies. J.Med.Chem., 58, 2015
|
|
5F4B
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 5f4b by Molmil](/molmil-images/mine/5f4b) | Structure of B. abortus WrbA-related protein A (WrpA) | 分子名称: | CHLORIDE ION, FLAVIN MONONUCLEOTIDE, NAD(P)H dehydrogenase (quinone) | 著者 | Herrou, J, Czyz, D, Willett, J.W, Kim, H.S, Chhor, G, Endres, M, Babnigg, G, Kim, Y, Joachimiak, A, Crosson, S, Midwest Center for Structural Genomics (MCSG) | 登録日 | 2015-12-03 | 公開日 | 2016-03-09 | 最終更新日 | 2024-03-06 | 実験手法 | X-RAY DIFFRACTION (2.498 Å) | 主引用文献 | WrpA Is an Atypical Flavodoxin Family Protein under Regulatory Control of the Brucella abortus General Stress Response System. J.Bacteriol., 198, 2016
|
|
2QHQ
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 2qhq by Molmil](/molmil-images/mine/2qhq) | Crystal structure of unknown function protein VPA0580 | 分子名称: | ACETATE ION, Unknown function protein VPA0580 | 著者 | Chang, C, Kim, Y, Volkart, L, Abdullah, J, Joachimiak, A, Midwest Center for Structural Genomics (MCSG) | 登録日 | 2007-07-02 | 公開日 | 2007-07-17 | 最終更新日 | 2011-07-13 | 実験手法 | X-RAY DIFFRACTION (1.76 Å) | 主引用文献 | Crystal structure of unknown function protein VPA0580. To be Published
|
|
5F51
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 5f51 by Molmil](/molmil-images/mine/5f51) | Structure of B. abortus WrbA-related protein A (apo) | 分子名称: | NAD(P)H dehydrogenase (quinone), SULFATE ION | 著者 | Herrou, J, Czyz, D, Willett, J.W, Kim, H.S, Kim, Y, Crosson, S. | 登録日 | 2015-12-03 | 公開日 | 2016-03-09 | 最終更新日 | 2023-09-27 | 実験手法 | X-RAY DIFFRACTION (2.53 Å) | 主引用文献 | WrpA Is an Atypical Flavodoxin Family Protein under Regulatory Control of the Brucella abortus General Stress Response System. J.Bacteriol., 198, 2016
|
|
1CEK
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 1cek by Molmil](/molmil-images/mine/1cek) | THREE-DIMENSIONAL STRUCTURE OF THE MEMBRANE-EMBEDDED M2 CHANNEL-LINING SEGMENT FROM THE NICOTINIC ACETYLCHOLINE RECEPTOR BY SOLID-STATE NMR SPECTROSCOPY | 分子名称: | PROTEIN (ACETYLCHOLINE RECEPTOR M2) | 著者 | Marassi, F.M, Gesell, J.J, Kim, Y, Valente, A.P, Oblatt-Montal, M, Montal, M, Opella, S.J. | 登録日 | 1999-03-09 | 公開日 | 1999-03-11 | 最終更新日 | 2023-12-27 | 実験手法 | SOLID-STATE NMR | 主引用文献 | Structures of the M2 channel-lining segments from nicotinic acetylcholine and NMDA receptors by NMR spectroscopy. Nat.Struct.Biol., 6, 1999
|
|
4X3Z
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 4x3z by Molmil](/molmil-images/mine/4x3z) | Inosine 5'-monophosphate dehydrogenase from Vibrio cholerae, deletion mutant, in complex with XMP and NAD | 分子名称: | GLYCEROL, Inosine-5'-monophosphate dehydrogenase, NICOTINAMIDE-ADENINE-DINUCLEOTIDE, ... | 著者 | Osipiuk, J, MALTSEVA, N, KIM, Y, Mulligan, R, MAKOWSKA-GRZYSKA, M, Gu, M, Anderson, W.F, Joachimiak, A, Center for Structural Genomics of Infectious Diseases (CSGID) | 登録日 | 2014-12-02 | 公開日 | 2014-12-10 | 最終更新日 | 2023-09-27 | 実験手法 | X-RAY DIFFRACTION (1.62 Å) | 主引用文献 | Inosine 5'-monophosphate dehydrogenase from Vibrio cholerae, deletion mutant, in complex with XMP and NAD to be published
|
|
5KZV
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 5kzv by Molmil](/molmil-images/mine/5kzv) | Crystal structure of the xenopus Smoothened cysteine-rich domain (CRD) in complex with 20(S)-hydroxycholesterol | 分子名称: | (3alpha,8alpha)-cholest-5-ene-3,20-diol, Smoothened | 著者 | Huang, P, Kim, Y, Salic, A. | 登録日 | 2016-07-25 | 公開日 | 2016-08-17 | 最終更新日 | 2023-10-04 | 実験手法 | X-RAY DIFFRACTION (1.616 Å) | 主引用文献 | Cellular Cholesterol Directly Activates Smoothened in Hedgehog Signaling. Cell, 166, 2016
|
|
5KZY
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 5kzy by Molmil](/molmil-images/mine/5kzy) | |